1Q0H

Crystal structure of selenomethionine-labelled DXR in complex with fosmidomycin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	1-deoxy-D-xylulose 5-phosphate reductoisomerase	polymer	406	45295.9	1	UniProt (P45568) Pfam (PF02670) Pfam (PF08436) Pfam (PF13288) In PDB	Escherichia coli	DXP reductoisomerase, 1-deoxyxylulose-5-phosphate reductoisomerase, IspC
2	A	3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID	non-polymer		183.1	1	Chemie (FOM)
3	A	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	1	Chemie (NDP)
4	A	CITRIC ACID	non-polymer		192.1	1	Chemie (CIT)
5		water	water		18.0	265	Chemie (HOH)

Sequence modifications

A: 1 - 398 (UniProt: P45568)

PDB	External Database	Details
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Mse 1	Met 1	modified residue
Mse 42	Met 42	modified residue
Mse 56	Met 56	modified residue
Mse 68	Met 68	modified residue
Mse 88	Met 88	modified residue
Mse 98	Met 98	modified residue
Mse 136	Met 136	modified residue
Mse 201	Met 201	modified residue
Mse 214	Met 214	modified residue
Mse 225	Met 225	modified residue
Mse 226	Met 226	modified residue
Mse 246	Met 246	modified residue
Mse 259	Met 259	modified residue
Mse 276	Met 276	modified residue
Mse 284	Met 284	modified residue
Mse 322	Met 322	modified residue
Mse 367	Met 367	modified residue
Mse 369	Met 369	modified residue
Mse 394	Met 394	modified residue

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45295.9
Non-Polymers*	Number of molecules	3
	Total formula weight	1120.6
All*	Total formula weight	46416.5

*Water molecules are not included.